ChemSpider 2D Image | 3,4-Di-O-acetyl-1,6-dichloro-1,6-dideoxy-beta-L-(1,1,6,6-~2~H_4_)fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-L-(C~6~,C~6~-~2~H_2_)galactopyranoside | C22H23D6Cl3O13

3,4-Di-O-acetyl-1,6-dichloro-1,6-dideoxy-β-L-(1,1,6,6-2H4)fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-L-(C6,C6-2H2)galactopyranoside

  • Molecular FormulaC22H23D6Cl3O13
  • Average mass613.854 Da
  • Monoisotopic mass612.105042 Da
  • ChemSpider ID111309850

  • defined stereocentres - 8 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,3,6-Tri-O-acétyl-4-chloro-4-désoxy-L-(C6,C6-2H2)galactopyranoside de 3,4-di-O-acétyl-1,6-dichloro-1,6-didésoxy-β-L-(1,1,6,6-2H4)fructofuranosyle [French] [ACD/IUPAC Name]
3,4-Di-O-acetyl-1,6-dichlor-1,6-didesoxy-β-L-(1,1,6,6-2H4)fructofuranosyl-2,3,6-tri-O-acetyl-4-chlor-4-desoxy-L-(C6,C6-2H2)galactopyranosid [German] [ACD/IUPAC Name]
3,4-Di-O-acetyl-1,6-dichloro-1,6-dideoxy-β-L-(1,1,6,6-2H4)fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-L-(C6,C6-2H2)galactopyranoside [ACD/IUPAC Name]
L-Galactopyranoside-C6,C6-d2, 3,4-di-O-acetyl-1,6-dichloro-1,6-dideoxy-β-L-fructofuranosyl-1,1,6,6-d4 4-chloro-4-deoxy-, triacetate [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 199.7±30.5 °C
Index of Refraction: 1.519
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.59
ACD/KOC (pH 5.5): 625.50
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.59
ACD/KOC (pH 7.4): 625.50
Polar Surface Area: 159 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 423.8±5.0 cm3

Click to predict properties on the Chemicalize site


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